7,8-Dichloro-9-Methyl-2,9-Dihydro-1H-β-Carbolin-1-One

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Properties Simple | Detailed

Formula C12H18Cl2N2O
IUPAC Name 7,8-dichloro-9-methyl-3,4,5,6-tetrahydro-2h-pyrido[3,4-b]indole-3,4,4a,4b,5,6,7,8,8a,9a-decaid-1-one
Molecular Mass 277.190 g·mol−1
Heat of Formation -23.4 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 270.35 Å 3
Surface Area 247.23 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrido(3,4-b)indol-1-one, 7,8-dichloro-2,9-dihydro-9-methyl-
  • 7,8-dichloro-2,9-dihydro-9-methyl-1h-pyrido(3,4-b)indol-1-one
  • 7,8-dichloro-9-methyl-2h-$b-carbolin-1-one
  • 7,8-dichloro-9-methyl-2h-pyrido[3,4-b]indol-1-one
  • bauerine c
CAS Number(s)
  • 156312-11-7
InChIKey JFESWTBLTSUPGK-UHFFFAOYSA-N
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Elements H C N O Cl